AI56548
79759-90-3 | 1-Methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AI56548
ChemicalName
1-Methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one
CasNumber
79759-90-3
MolecularFormula
C9H7F3N2O
MolecularWeight
216.1599
MdlNumber
MFCD24555825
Smiles
Cn1c(=O)[nH]c2c1ccc(c2)C(F)(F)F
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
Xlogp3
1.6
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CatalogNumber: AI56548
ChemicalName: 1-Methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one
CasNumber: 79759-90-3
MolecularFormula: C9H7F3N2O
MolecularWeight: 216.1599
MdlNumber: MFCD24555825
Smiles: Cn1c(=O)[nH]c2c1ccc(c2)C(F)(F)F
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 1.6
CatalogNumber:
AI56548
ChemicalName:
1-Methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one
CasNumber:
79759-90-3
MolecularFormula:
C9H7F3N2O
MolecularWeight:
216.1599
MdlNumber:
MFCD24555825
Smiles:
Cn1c(=O)[nH]c2c1ccc(c2)C(F)(F)F
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(CO)C1=CC=C(C=C1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(CO)C1=CC=C(C=C1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CCC(=O)CN1C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CCC(=O)CN1C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: AI56551
ChemicalName: ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate
CasNumber: 79794-75-5
MolecularFormula: C22H23ClN2O2
MolecularWeight: 382.8832
MdlNumber: MFCD00672869
Smiles: CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1
Complexity: 569
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
Xlogp3: 5.2
CatalogNumber:
AI56551
ChemicalName:
ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate
CasNumber:
79794-75-5
MolecularFormula:
C22H23ClN2O2
MolecularWeight:
382.8832
MdlNumber:
MFCD00672869
Smiles:
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1
Complexity:
569
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
Xlogp3:
5.2